Information card for entry 4072866

Structure parameters

• Formula: C74 H60 Cu2 P2 Pt2
• Calculated formula: C74 H60 Cu2 P2 Pt2
• SMILES: [Pt]12([P](c3ccccc3C2)(c2ccccc2C)c2ccccc2C)[C]2#[C](c3ccccc3)[Cu]32[C]([Pt]2([P](c4ccccc4C2)(c2ccccc2C)c2ccccc2C)[C]2#[C](c4ccccc4)[Cu]42[C]1#[C]4c1ccccc1)#[C]3c1ccccc1
• Title of publication: New Mono- and Polynuclear Alkynyl Complexes Containing Phenylacetylide as Terminal or Bridging Ligand. X-ray Structures of the Compounds NBu4[Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)2], [Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)(CO)], [{Pt(CH2C6H4P(o-tolyl)2-κC,P)(μ-C⋮CPh)}2], and [{Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)2Cu}2]
• Authors of publication: Casas, José M.; Forniés, Juan; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1674
• a: 12.329 ± 0.0004 Å
• b: 12.329 ± 0.0004 Å
• c: 39.604 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6020 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0194
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No